Geometry & MOs

Info

ID:	69032
PubChem CID:	46516043
Reduced:	O3N6C22H32 (1)
Stoich.:	A3B6C22D32 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	0.65
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(C)C(=O)NC(=O)NCC(C)C

DOS

IR

Vibrations