Geometry & MOs

Info

ID:	436729
PubChem CID:	135208223
Reduced:	N4C14H19 (2)
Stoich.:	A4B14C19 (2)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	105.82
Dipole, Da:	6.2
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxyphenyl)methyl]-2,2,5,5-tetramethylheptan-4-one

Drug info:

PubChemData

Smile

CC1CC2CN(CCN2)CC3=CC(=CC=C3)NC4=NC=CC(=N4)C5=CN=C(C=C5)N(CCCN1C)C

DOS

IR

Vibrations