Geometry & MOs

Info

ID:	307326
PubChem CID:	125299591
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	5.56
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

CCN(CC)CCN1[C@H](C(=C(C2=C(C(=N[C@@H]2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations