Geometry & MOs

Info

ID:	430424
PubChem CID:	135170488
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	4.68
IP(EA), eV:	-9.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-5-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C1OC(=O)C)C

DOS

IR

Vibrations