Geometry & MOs

Info

ID:	55751
PubChem CID:	17396416
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	494.239242
ΔH_f, kcal/mol:	-176.33
Dipole, Da:	5.68
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5-triethoxyphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)N(C)C

DOS

IR

Vibrations