Geometry & MOs

Info

ID:	363386
PubChem CID:	127310923
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	26.65
Dipole, Da:	4.77
IP(EA), eV:	-9.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC=CC(=N2)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations