Geometry & MOs

Info

ID:	126551
PubChem CID:	50967639
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	7.26
IP(EA), eV:	-9.21(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-[1-(furan-2-yl)ethyl]-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCN2C(=CC(=N2)C(=O)N3[C@@H](CC=C[C@H]3CC=C)CC=C)C1

DOS

IR

Vibrations