Geometry & MOs

Info

ID:	152849
PubChem CID:	56311928
Reduced:	ClFON4C19H22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	440.258754
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	4.21
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(N=CC=C2)Cl)CC3=CC=CC=C3F

DOS

IR

Vibrations