Geometry & MOs

Info

ID:	127233
PubChem CID:	50995471
Reduced:	N5C14H14 (2)
Stoich.:	A5B14C14 (2)
Weight, g/mol:	387.03309
ΔH_f, kcal/mol:	188.42
Dipole, Da:	2.97
IP(EA), eV:	-8.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCC(CC2)C(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)NC6=CC=CC=C6

DOS

IR

Vibrations