Geometry & MOs

Info

ID:	126384
PubChem CID:	50962948
Reduced:	ON5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	118.1
Dipole, Da:	3.82
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(2,5-dihydropyrrol-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=C2)C3=C(N=CN3CC(C)N4C=CN=C4)C5=CC=CC=C5

DOS

IR

Vibrations