Geometry & MOs

Info

ID:	263670
PubChem CID:	103388226
Reduced:	ClN2O2C17H27 (1)
Stoich.:	AB2C2D17E27 (1)
Weight, g/mol:	252.089022
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	2.01
IP(EA), eV:	-9.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-chloro-5-(tetrazol-1-yl)phenyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Cl)NC(C)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations