Geometry & MOs

Info

ID:	355568
PubChem CID:	127289326
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	376.179379
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	5.04
IP(EA), eV:	-9.02(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC=CN2C)NC(=O)C3CCCCC3

DOS

IR

Vibrations