Geometry & MOs

Info

ID:	305874
PubChem CID:	124972143
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	342.241962
ΔH_f, kcal/mol:	-57.62
Dipole, Da:	14.15
IP(EA), eV:	-9.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[(3S)-3-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine

Drug info:

PubChemData

Smile

CCCN1C=CC(=N1)C(=O)N2CCOC[C@H]2C3=CC(=O)N=C(N3)C

DOS

IR

Vibrations