Geometry & MOs

Info

ID:	357893
PubChem CID:	127295393
Reduced:	O2N3C24H37 (1)
Stoich.:	A2B3C24D37 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-104.64
Dipole, Da:	5.11
IP(EA), eV:	-9.01(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2,5-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations