Geometry & MOs

Info

ID:	370277
PubChem CID:	127337944
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	6.92
IP(EA), eV:	-8.42(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)CCN3CCCC3

DOS

IR

Vibrations