Geometry & MOs

Info

ID:	333315
PubChem CID:	127251867
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	436.238688
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	8.65
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-[(5-fluoro-1-methylindol-3-yl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)OC

DOS

IR

Vibrations