Geometry & MOs

Info

ID:	164872
PubChem CID:	74463602
Reduced:	ClO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	354.218152
ΔH_f, kcal/mol:	-4.6
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752229
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations