Geometry & MOs

Info

ID:	149000
PubChem CID:	53788671
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	7.29
IP(EA), eV:	-9.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-(methoxymethyl)-5-pyridin-3-yl-9H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C=C(CCCC2=CC=C(C=C2)C(=O)O)CN3C=CN=C3

DOS

IR

Vibrations