Geometry & MOs

Info

ID:	191001
PubChem CID:	78092885
Reduced:	N7C22H33 (1)
Stoich.:	A7B22C33 (1)
Weight, g/mol:	443.194402
ΔH_f, kcal/mol:	78.15
Dipole, Da:	2.83
IP(EA), eV:	-8.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CC3C(CN2)NNC3C4=NC(=CC=C4)N5CCCCCC5

DOS

IR

Vibrations