Geometry & MOs

Info

ID:	307500
PubChem CID:	125307152
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	1.69
IP(EA), eV:	-9.6(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)/C=N\NC(=O)CN[C@@H]2C(=O)NC(=O)N=N2

DOS

IR

Vibrations