Geometry & MOs

Info

ID:	370783
PubChem CID:	127340565
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	3.92
IP(EA), eV:	-8.46(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(1-methylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCCN(CC1)C2CCCC2)NC(=O)N3CCCC3

DOS

IR

Vibrations