Geometry & MOs

Info

ID:	76271
PubChem CID:	48424707
Reduced:	NF2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-188.65
Dipole, Da:	2.01
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(COC1=C(C=C(C=C1)F)F)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations