Geometry & MOs

Info

ID:	349587
PubChem CID:	127275739
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	363.209282
ΔH_f, kcal/mol:	-117.95
Dipole, Da:	4.17
IP(EA), eV:	-8.69(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CC3=CC=CC=C3OC2

DOS

IR

Vibrations