Geometry & MOs

Info

ID:	181790
PubChem CID:	76792172
Reduced:	OF2N2C21H34 (1)
Stoich.:	AB2C2D21E34 (1)
Weight, g/mol:	493.181144
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	5.31
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-1-[4-(7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCNC(C(C)C)C(=O)N1CCC(CC1)C2=CCC(C(=C2)F)F

DOS

IR

Vibrations