Geometry & MOs

Info

ID:	37863
PubChem CID:	8025183
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	2.47
Dipole, Da:	4.25
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(3-phenylimidazole-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)[C@H](C3=CC=CC=C3)N[C@H](C)CC

DOS

IR

Vibrations