Geometry & MOs

Info

ID:	46505
PubChem CID:	10524826
Reduced:	NOC5H9 (4)
Stoich.:	ABC5D9 (4)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-211.21
Dipole, Da:	3.51
IP(EA), eV:	-9.59(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCNC(CCN(CCC1)C(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations