Geometry & MOs

Info

ID:	129078
PubChem CID:	51069360
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	6.73
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-(cyclopropylmethyl)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)N(CC1=C(N(N=C1C)C2=CC=CC=C2)OC3=CC=CC=C3OC)CC(C)C

DOS

IR

Vibrations