Geometry & MOs

Info

ID:	311543
PubChem CID:	126593638
Reduced:	N11O11C48H85 (1)
Stoich.:	A11B11C48D85 (1)
Weight, g/mol:	309.33955
ΔH_f, kcal/mol:	-555.47
Dipole, Da:	6.45
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tetradecan-7-ylcycloheptanamine

Drug info:

Smile

CC[C@H](C(=O)N(C)[C@@H](C(C)CC)C(=O)N[C@@H](C(=O)N(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)C(=O)N(C)C(=O)N(C)CC[C@H](C)C/C=C/C)C(C)(C)C)N(C)C(=O)NC=O

DOS

IR

Vibrations