Geometry & MOs

Info

ID:	305759
PubChem CID:	124968285
Reduced:	ON4C27H38 (1)
Stoich.:	AB4C27D38 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	3.35
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diphenyl-1-[(6R)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@H]2CCCN(C2)CCC3=CC=CC=C3)C)CC(=O)NC4CCCCC4

DOS

IR

Vibrations