Geometry & MOs

Info

ID:	245618
PubChem CID:	99455614
Reduced:	BrN2O3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	429.207527
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	5.61
IP(EA), eV:	-8.97(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[2-[[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]amino]-2-oxoethyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)CCCOC2=CC(=CC=C2)Br

DOS

IR

Vibrations