Geometry & MOs

Info

ID:	31902
PubChem CID:	3723190
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	473.05619
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	5.61
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCO)CC3=NN=NN3CCOC)C

DOS

IR

Vibrations