Geometry & MOs

Info

ID:	187575
PubChem CID:	77593952
Reduced:	BrO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	506.199269
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	5.15
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[3-(difluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(CCCBr)C(=O)NC1CC(NN1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations