Geometry & MOs

Info

ID:	348435
PubChem CID:	127273536
Reduced:	N3O3C21H37 (1)
Stoich.:	A3B3C21D37 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-181.13
Dipole, Da:	1.72
IP(EA), eV:	-8.76(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)CC(C)NC(=O)C3CCCC3

DOS

IR

Vibrations