Geometry & MOs

Info

ID:	307493
PubChem CID:	125307141
Reduced:	O3N6C15H20 (1)
Stoich.:	A3B6C15D20 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	4.32
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3S,9aS)-1-[4-methoxy-3-(methoxymethyl)phenyl]-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=N2)CN[C@@H](CC3=NC=NC3)C(=O)O

DOS

IR

Vibrations