Geometry & MOs

Info

ID:	142898
PubChem CID:	53111164
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	5.72
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NC4CCCCCCC4)N=N2

DOS

IR

Vibrations