Geometry & MOs

Info

ID:	46719
PubChem CID:	10526641
Reduced:	ON6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	430.273262
ΔH_f, kcal/mol:	59.33
Dipole, Da:	6.21
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)N=C(C1=CC=C(C=C1)C2=NC=CC(=N2)C3=C(C=C(C=C3)C(=NC(C)C)N)OC)N

DOS

IR

Vibrations