Geometry & MOs

Info

ID:	363638
PubChem CID:	127311739
Reduced:	O2N5C19H35 (1)
Stoich.:	A2B5C19D35 (1)
Weight, g/mol:	381.11642
ΔH_f, kcal/mol:	-101.87
Dipole, Da:	3.96
IP(EA), eV:	-8.91(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromopyridin-2-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCC(CC1)NC(=O)NC2CCCCC2)C3CC3

DOS

IR

Vibrations