Geometry & MOs

Info

ID:	286589
PubChem CID:	104179341
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	60.69
Dipole, Da:	2.53
IP(EA), eV:	-9.01(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC2CC(C2)C3=CC=CC=C3

DOS

IR

Vibrations