Geometry & MOs

Info

ID:	52745
PubChem CID:	12015828
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	7.74
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC4=C(CCN4)C=C3

DOS

IR

Vibrations