Geometry & MOs

Info

ID:	333289
PubChem CID:	127251841
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	448.204531
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	5.36
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-1,3-thiazol-4-yl)-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C(=O)C)C(=N3)NC

DOS

IR

Vibrations