Geometry & MOs

Info

ID:	307850
PubChem CID:	125309917
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-125.77
Dipole, Da:	3.11
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2H-indol-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)[C@@H]2C=NC(=O)N(C2=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations