Geometry & MOs

Info

ID:	342668
PubChem CID:	127265828
Reduced:	OSCl2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	2.61
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-[4-(methoxymethyl)phenyl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)N(C)CC2=CSC=N2

DOS

IR

Vibrations