Geometry & MOs

Info

ID:	146336
PubChem CID:	53671788
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	398.212491
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	4.31
IP(EA), eV:	-8.87(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-4-amine

Drug info:

PubChemData

Smile

CC(=O)N1C=CCC[C@H]1C(=O)OC(C)(C)C

DOS

IR

Vibrations