Geometry & MOs

Info

ID:	194151
PubChem CID:	78491560
Reduced:	NOC7H10 (3)
Stoich.:	ABC7D10 (3)
Weight, g/mol:	353.234137
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.156552
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-3-phenylurea

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)COC1=CC=CC=C1OC)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations