Geometry & MOs

Info

ID:	62429
PubChem CID:	26719710
Reduced:	ClO2N5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	371.114903
ΔH_f, kcal/mol:	29.85
Dipole, Da:	4.45
IP(EA), eV:	-8.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC=C(C=C1)OC)N2N=C(N=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations