Geometry & MOs

Info

ID:	161327
PubChem CID:	57391349
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	364.109089
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	6.03
IP(EA), eV:	-8.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(CNC3=CC=C(C=C3)CCNCC(C4=CC(=C(C=C4)O)CO)O)O

DOS

IR

Vibrations