Geometry & MOs

Info

ID:	354387
PubChem CID:	127286631
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	357.112316
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	4.14
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[2-[(3,5-dichloropyridin-2-yl)amino]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations