Geometry & MOs

Info

ID:	200570
PubChem CID:	79411577
Reduced:	N3C16H29 (1)
Stoich.:	A3B16C29 (1)
Weight, g/mol:	261.134049
ΔH_f, kcal/mol:	-22.26
Dipole, Da:	3.46
IP(EA), eV:	-9.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(C(=N1)C)CCCNCCC)C

DOS

IR

Vibrations