Geometry & MOs

Info

ID:	349589
PubChem CID:	127275741
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	2.1
IP(EA), eV:	-8.5(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)N3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations