Geometry & MOs

Info

ID:	151617
PubChem CID:	55161699
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	5.02
IP(EA), eV:	-8.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylamino)-3-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCC(CC)NC(=O)C1=CC(=C(C=C1)NCC)C

DOS

IR

Vibrations