Geometry & MOs

Info

ID:	280895
PubChem CID:	103851812
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-103.02
Dipole, Da:	2.47
IP(EA), eV:	-8.99(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC2CCC(CC2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations