Geometry & MOs

Info

ID:	367186
PubChem CID:	127323952
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	3.86
IP(EA), eV:	-8.61(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)NC2CCN(C2)C3CC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations