Geometry & MOs

Info

ID:	444737
PubChem CID:	135263400
Reduced:	O3N6C30H38 (1)
Stoich.:	A3B6C30D38 (1)
Weight, g/mol:	572.316269
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	2.28
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]-N-[[2-(azepan-1-yl)-4-methoxyphenyl]-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(N=C3)N4CCN(CC4)C(=O)C)N5CCCCC5

DOS

IR

Vibrations