Geometry & MOs

Info

ID:	369193
PubChem CID:	127331500
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	2.74
IP(EA), eV:	-9.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations