Geometry & MOs

Info

ID:	44573
PubChem CID:	10504124
Reduced:	ClON6C22H23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	459.146027
ΔH_f, kcal/mol:	83.62
Dipole, Da:	2.16
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diphenoxyphosphorylmethyl)-4-phenyl-1-(2H-tetrazol-5-yl)but-3-yn-1-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N

DOS

IR

Vibrations