Geometry & MOs

Info

ID:	231018
PubChem CID:	87572469
Reduced:	ClO2N11C27H30 (1)
Stoich.:	AB2C11D27E30 (1)
Weight, g/mol:	418.165935
ΔH_f, kcal/mol:	53.73
Dipole, Da:	11.37
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[[6-chloro-5-(3-methoxyphenyl)pyridin-3-yl]oxymethyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NN3C2=NC=C3C(=O)NC4=CC(=NC=C4)Cl)NC5CCC(CC5)NC(=O)NCC6=NC=NC=C6

DOS

IR

Vibrations