Geometry & MOs

Info

ID:	357882
PubChem CID:	127295382
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	399.288577
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	6.28
IP(EA), eV:	-8.64(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations