Geometry & MOs

Info

ID:	70724
PubChem CID:	48413777
Reduced:	OSN6C19H20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	77.86
Dipole, Da:	6.34
IP(EA), eV:	-9.21(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylpyrrol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

DOS

IR

Vibrations