Geometry & MOs

Info

ID:	393799
PubChem CID:	135021711
Reduced:	N4O5C13H22 (1)
Stoich.:	A4B5C13D22 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-179.47
Dipole, Da:	4.01
IP(EA), eV:	-9.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclohexyltetrazol-5-yl)-(2-nitrophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1(N(C[C@@H](O1)[C@H](C(=O)OC)N=[N+]=[N-])C(=O)OC(C)(C)C)C

DOS

IR

Vibrations