Geometry & MOs

Info

ID:	252680
PubChem CID:	103113208
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	352.05349
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	0.74
IP(EA), eV:	-9.91(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-[(5-bromopyridin-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CC(=CN=C2)O

DOS

IR

Vibrations