Geometry & MOs

Info

ID:	126396
PubChem CID:	50963660
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	5.86
Dipole, Da:	4.91
IP(EA), eV:	-8.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-(oxazinan-2-yl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2C(=O)N3CCN4C(=NC=C4C(=O)N)C3)C

DOS

IR

Vibrations