Geometry & MOs

Info

ID:	420175
PubChem CID:	135111668
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-112.86
Dipole, Da:	4.29
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=CC(=NN3)N)O

DOS

IR

Vibrations