Geometry & MOs

Info

ID:	330702
PubChem CID:	127248109
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-72.11
Dipole, Da:	5.36
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetylpyrrolidin-3-yl)methyl]-N-cycloheptylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC=NC(=C1)CC2CCCN(C2)C(=O)C

DOS

IR

Vibrations