Geometry & MOs

Info

ID:	358187
PubChem CID:	127295732
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	6.12
Dipole, Da:	4.95
IP(EA), eV:	-8.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(3-ethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C

DOS

IR

Vibrations