Geometry & MOs

Info

ID:	415707
PubChem CID:	135088707
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	297.170194
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	4.75
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=CC=CC=N2)C(=O)O

DOS

IR

Vibrations