Geometry & MOs

Info

ID:	130901
PubChem CID:	51124167
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	381.14158
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	12.04
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)propan-2-yl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations