Geometry & MOs

Info

ID:	313202
PubChem CID:	126612576
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	125.120449
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	4.06
IP(EA), eV:	-8.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclopropyl)methyl]prop-1-en-2-amine

Drug info:

PubChemData

Smile

CCC1COCCN1C2=NC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C(=C2)N5C6CCC5COC6

DOS

IR

Vibrations