Geometry & MOs

Info

ID:	70909
PubChem CID:	48414033
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	5.86
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCNC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations