Geometry & MOs

Info

ID:	201586
PubChem CID:	79559724
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	2.55
IP(EA), eV:	-8.77(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-2-yl)-1-(2,4-dimethylphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(C)CC2CCCCCN2

DOS

IR

Vibrations