Geometry & MOs

Info

ID:	364723
PubChem CID:	127316029
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	348.148078
ΔH_f, kcal/mol:	39.42
Dipole, Da:	6.62
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations