Geometry & MOs

Info

ID:	414305
PubChem CID:	135087261
Reduced:	ClO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	4.63
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-(2-methyl-5-propylpyrimidin-4-yl)azepan-4-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations