Geometry & MOs

Info

ID:	330492
PubChem CID:	127247899
Reduced:	O3N5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-89.7
Dipole, Da:	4.26
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations