Geometry & MOs

Info

ID:	164928
PubChem CID:	74474070
Reduced:	N4O7C21H27 (1)
Stoich.:	A4B7C21D27 (1)
Weight, g/mol:	395.269853
ΔH_f, kcal/mol:	-257.48
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754743
Charge, e:	1

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]methylidene-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)C[N+]1=C(C(C(=O)N(C1=O)C)C(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CO3)N

DOS

IR

Vibrations