Geometry & MOs

Info

ID:	201126
PubChem CID:	79491362
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	285.220498
ΔH_f, kcal/mol:	56.12
Dipole, Da:	2.75
IP(EA), eV:	-8.59(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(1-adamantyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NN(C=C2CNC3CC3)C

DOS

IR

Vibrations