Geometry & MOs

Info

ID:	357911
PubChem CID:	127295411
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	7.81
IP(EA), eV:	-8.77(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations