Geometry & MOs

Info

ID:	171337
PubChem CID:	75361935
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-143.92
Dipole, Da:	6.18
IP(EA), eV:	-9.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(7-acetyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC3CC4=CC=CC=C4C3

DOS

IR

Vibrations