Geometry & MOs

Info

ID:	126171
PubChem CID:	50954377
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	44.5
Dipole, Da:	5.57
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCC2=CN(N=C2)C(C)C)C

DOS

IR

Vibrations