Geometry & MOs

Info

ID:	168869
PubChem CID:	75030908
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	515.205636
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	1.79
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1(C(CC2C(=O)C3=CC=CC=C3N=C2O1)O)C

DOS

IR

Vibrations