Geometry & MOs

Info

ID:	449781
PubChem CID:	135301401
Reduced:	PN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	7.39
IP(EA), eV:	-7.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C3CCC4=CC(=N)C=CC4=C3O2)P(=O)(OC)OC

DOS

IR

Vibrations