Geometry & MOs

Info

ID:	137612
PubChem CID:	52234594
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	7.82
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2CCC(CC2)CO)C

DOS

IR

Vibrations