Geometry & MOs

Info

ID:	305428
PubChem CID:	124807205
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	5.71
IP(EA), eV:	-9.38(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylfuran-3-yl)-[(7S)-7-[(pyridin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2C[C@H](N3C(=CC=N3)C2)COCC4=CC=CC=N4

DOS

IR

Vibrations