Geometry & MOs

Info

ID:	333393
PubChem CID:	127251945
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-58.57
Dipole, Da:	7.95
IP(EA), eV:	-8.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[7-[(4-methoxy-2,3,6-trimethylphenyl)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(=C1CN2CCC(C2)C3=NC4=C(CCN(C4)C(=O)C)C(=N3)NC)C)C)OC

DOS

IR

Vibrations