Geometry & MOs

Info

ID:	245600
PubChem CID:	99455522
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-172.56
Dipole, Da:	1.15
IP(EA), eV:	-8.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC[C@H](C)N3C[C@H](O[C@H](C3)C)C

DOS

IR

Vibrations