Geometry & MOs

Info

ID:	367284
PubChem CID:	127324061
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	2.41
IP(EA), eV:	-8.74(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC(C)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations