Geometry & MOs

Info

ID:	69223
PubChem CID:	46530475
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-166.39
Dipole, Da:	5.56
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-phenyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

DOS

IR

Vibrations