Geometry & MOs

Info

ID:	333370
PubChem CID:	127251922
Reduced:	OSN6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	418.24811
ΔH_f, kcal/mol:	35.56
Dipole, Da:	2.67
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCC4=C(C3)N=C(N=C4NC)C5CCNC5

DOS

IR

Vibrations