Geometry & MOs

Info

ID:	326689
PubChem CID:	126688008
Reduced:	N7O12C54H83 (1)
Stoich.:	A7B12C54D83 (1)
Weight, g/mol:	140.131349
ΔH_f, kcal/mol:	-560.54
Dipole, Da:	8.65
IP(EA), eV:	-9.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,4E)-N,N',N'-trimethylpenta-1,4-diene-1,5-diamine

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H](C1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C[C@H](C)C(=O)N[C@H](C)C(=O)C(=O)N(C)C)O)C(=O)N[C@@H](C)C(=O)C

DOS

IR

Vibrations