Geometry & MOs

Info

ID:	360632
PubChem CID:	127301277
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	347.243359
ΔH_f, kcal/mol:	-92.84
Dipole, Da:	6.17
IP(EA), eV:	-8.62(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations