Geometry & MOs

Info

ID:	351473
PubChem CID:	127280361
Reduced:	O3N6C19H30 (1)
Stoich.:	A3B6C19D30 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	5.53
IP(EA), eV:	-9.32(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCN(CC1)C(=O)CN2CCCC2)N3C=CC=N3

DOS

IR

Vibrations