Geometry & MOs

Info

ID:	31854
PubChem CID:	3721159
Reduced:	ClOSN4H17C23 (1)
Stoich.:	ABCD4E17F23 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	94.37
Dipole, Da:	7.12
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=N)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)C(=O)N=C2S1

DOS

IR

Vibrations