Geometry & MOs

Info

ID:	333271
PubChem CID:	127251823
Reduced:	OSN6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	8.31
Dipole, Da:	5.81
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC

DOS

IR

Vibrations