Geometry & MOs

Info

ID:	430410
PubChem CID:	135170474
Reduced:	ClNOC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	18.28
Dipole, Da:	1.31
IP(EA), eV:	-10.14(-0.21)
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]-2-methylindole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2(CC2)Cl

DOS

IR

Vibrations