Geometry & MOs

Info

ID:	289452
PubChem CID:	104354761
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	2.44
IP(EA), eV:	-9.25(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=C(NN=C4)N

DOS

IR

Vibrations