Geometry & MOs

Info

ID:	364767
PubChem CID:	127316098
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	5.33
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations