Geometry & MOs

Info

ID:	171767
PubChem CID:	75423309
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	6.55
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-1-cyclopropyl-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations