Geometry & MOs

Info

ID:	349082
PubChem CID:	127274808
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-115.63
Dipole, Da:	3.52
IP(EA), eV:	-8.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4

DOS

IR

Vibrations