Geometry & MOs

Info

ID:	358995
PubChem CID:	127297187
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	349.222623
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	4.55
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)-2-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations