Geometry & MOs

Info

ID:	333389
PubChem CID:	127251941
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	8.92
IP(EA), eV:	-8.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC3=C(C2)N=C(N=C3NC)C4CCN(C4)C(=O)C)OC

DOS

IR

Vibrations