Geometry & MOs

Info

ID:	333369
PubChem CID:	127251921
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	448.204531
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	8.88
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCC(C2)C3=NC4=C(CCN(C4)C(=O)C)C(=N3)NC

DOS

IR

Vibrations