Geometry & MOs

Info

ID:	363356
PubChem CID:	127310890
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	25.52
Dipole, Da:	4.74
IP(EA), eV:	-8.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)C2=CN=C(S2)C3=CN(N=C3)C

DOS

IR

Vibrations