Geometry & MOs

Info

ID:	358264
PubChem CID:	127295809
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	2.9
IP(EA), eV:	-9.25(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations