Geometry & MOs

Info

ID:	151658
PubChem CID:	56261010
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	6.09
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylpyrimidin-5-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC(=CC=C2)C(=O)NC3=CC=CC=C3OCC4CCCCO4)C

DOS

IR

Vibrations