Geometry & MOs

Info

ID:	348129
PubChem CID:	127273191
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	4.88
IP(EA), eV:	-8.68(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)NC2CCN3C2CCCC3)OC

DOS

IR

Vibrations