Geometry & MOs

Info

ID:	331733
PubChem CID:	127250017
Reduced:	ClO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	30.83
Dipole, Da:	11.9
IP(EA), eV:	-9.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(4-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCN2C=NN=N2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations