Geometry & MOs

Info

ID:	126152
PubChem CID:	50953426
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	7.74
IP(EA), eV:	-9.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-5-(3-methylquinolin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)CCNC(=O)C2=C(N=C(S2)C(C)C)C

DOS

IR

Vibrations