Geometry & MOs

Info

ID:	139763
PubChem CID:	52590829
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	10.46
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCC[C@H]2CCCO2)[N+](=O)[O-]

DOS

IR

Vibrations