Geometry & MOs

Info

ID:	367219
PubChem CID:	127323994
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	3.48
IP(EA), eV:	-8.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=CC=C2CNC(=O)N3CCCC(C3)C(=O)NC

DOS

IR

Vibrations