Geometry & MOs

Info

ID:	252900
PubChem CID:	103114862
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	9.88
IP(EA), eV:	-9.86(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC(C(=O)O)NC(=O)C

DOS

IR

Vibrations