Geometry & MOs

Info

ID:	349330
PubChem CID:	127275117
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	2.58
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2CCOC3=CC=CC=C23

DOS

IR

Vibrations