Geometry & MOs

Info

ID:	326625
PubChem CID:	126687910
Reduced:	N8O10C47H72 (1)
Stoich.:	A8B10C47D72 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-455.17
Dipole, Da:	6.31
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2,2,4-trimethylhept-5-en-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)N(C)C)O)N

DOS

IR

Vibrations