Geometry & MOs

Info

ID:	331297
PubChem CID:	127248704
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	443.212139
ΔH_f, kcal/mol:	-7.02
Dipole, Da:	6.37
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)C(=O)N)N(C)C

DOS

IR

Vibrations