Geometry & MOs

Info

ID:	427523
PubChem CID:	135159571
Reduced:	PN3O3C13H24 (1)
Stoich.:	AB3C3D13E24 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-191.22
Dipole, Da:	4.96
IP(EA), eV:	-8.3(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R,6S)-3-(aminomethyl)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]carbamate

Drug info:

PubChemData

Smile

CCOP(=O)(NC1CC2=C(C(N=CN2C1)C)C)OCC

DOS

IR

Vibrations