Geometry & MOs

Info

ID:	349350
PubChem CID:	127275137
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-149.18
Dipole, Da:	2.96
IP(EA), eV:	-8.31(0.07)
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)-3-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations