Geometry & MOs

Info

ID:	317968
PubChem CID:	126648020
Reduced:	NC18H35 (1)
Stoich.:	AB18C35 (1)
Weight, g/mol:	431.257277
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	1.6
IP(EA), eV:	-8.07(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3E,5E)-6-methyl-8-phenylocta-1,3,5-trien-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C)/NC1CCCCCCCCCCCCC1

DOS

IR

Vibrations