Geometry & MOs

Info

ID:	40192
PubChem CID:	8143725
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	3.77
IP(EA), eV:	-9.32(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-methyl-4-nitrophenyl)tetrazol-5-yl]cyclopentyl]aniline

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations