Geometry & MOs

Info

ID:	431752
PubChem CID:	135171856
Reduced:	ClO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	358.24811
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	2.62
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-methylpropyl)-1-N-(oxan-4-yl)-4-[(2R)-1-(2H-tetrazol-5-yl)propan-2-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=N3)Cl

DOS

IR

Vibrations